tris(1H-indole-3-carboxylic acid);terbium

C27H21N3O6Tb — CID 171115349

IUPACtris(1H-indole-3-carboxylic acid);terbium
SMILESO=C(O)c1c[nH]c2ccccc12.O=C(O)c1c[nH]c2ccccc12.O=C(O)c1c[nH]c2ccccc12.[Tb]
InChIInChI=1S/3C9H7NO2.Tb/c3*11-9(12)7-5-10-8-4-2-1-3-6(7)8;/h3*1-5,10H,(H,11,12);
InChIKeyMPSVPEBZUDWRCP-UHFFFAOYSA-N
MW642.41 g/mol
LogP5.60
Rot. Bonds3

About tris(1H-indole-3-carboxylic acid);terbium

tris(1H-indole-3-carboxylic acid);terbium (PubChem CID 171115349) has the molecular formula C27H21N3O6Tb and a molecular weight of 642.41 g/mol. Its IUPAC name is tris(1H-indole-3-carboxylic acid);terbium.

Molecular Properties

Compound Nametris(1H-indole-3-carboxylic acid);terbium
PubChem CID171115349
Molecular FormulaC27H21N3O6Tb
Molecular Weight642.41 g/mol
Exact Mass642.07
IUPAC Nametris(1H-indole-3-carboxylic acid);terbium
SMILESO=C(O)c1c[nH]c2ccccc12.O=C(O)c1c[nH]c2ccccc12.O=C(O)c1c[nH]c2ccccc12.[Tb]
InChIInChI=1S/3C9H7NO2.Tb/c3*11-9(12)7-5-10-8-4-2-1-3-6(7)8;/h3*1-5,10H,(H,11,12);
InChIKeyMPSVPEBZUDWRCP-UHFFFAOYSA-N
XLogP5.60
TPSA159.27 Ų
H-Bond Donors6
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500642.41
LogP ≤ 55.60
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tris(1H-indole-3-carboxylic acid);terbium?
The IUPAC name of tris(1H-indole-3-carboxylic acid);terbium (CID 171115349) is tris(1H-indole-3-carboxylic acid);terbium.
What is the SMILES notation for tris(1H-indole-3-carboxylic acid);terbium?
The canonical SMILES for tris(1H-indole-3-carboxylic acid);terbium is O=C(O)c1c[nH]c2ccccc12.O=C(O)c1c[nH]c2ccccc12.O=C(O)c1c[nH]c2ccccc12.[Tb].
What is the InChIKey of tris(1H-indole-3-carboxylic acid);terbium?
The InChIKey is MPSVPEBZUDWRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H7NO2.Tb/c3*11-9(12)7-5-10-8-4-2-1-3-6(7)8;/h3*1-5,10H,(H,11,12);.
What are the key properties of tris(1H-indole-3-carboxylic acid);terbium?
tris(1H-indole-3-carboxylic acid);terbium has a molecular weight of 642.41 g/mol, XLogP of 5.60, 3 rotatable bonds, 6 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1H-indole-3-carboxylic acid);terbium is sourced from PubChem (CID 171115349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).